N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide

C10H13NO4 — CID 14036516

IUPACN-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide
SMILESCC(=O)NCC(O)c1ccc(O)c(O)c1
InChIInChI=1S/C10H13NO4/c1-6(12)11-5-10(15)7-2-3-8(13)9(14)4-7/h2-4,10,13-15H,5H2,1H3,(H,11,12)
InChIKeyWEFKVTFPZQEBGF-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.27
Rot. Bonds3

About N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide

N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide (PubChem CID 14036516) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide
PubChem CID14036516
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC NameN-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide
SMILESCC(=O)NCC(O)c1ccc(O)c(O)c1
InChIInChI=1S/C10H13NO4/c1-6(12)11-5-10(15)7-2-3-8(13)9(14)4-7/h2-4,10,13-15H,5H2,1H3,(H,11,12)
InChIKeyWEFKVTFPZQEBGF-UHFFFAOYSA-N
XLogP0.27
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide (CID 14036516) is N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide is CC(=O)NCC(O)c1ccc(O)c(O)c1.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide?
The InChIKey is WEFKVTFPZQEBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-6(12)11-5-10(15)7-2-3-8(13)9(14)4-7/h2-4,10,13-15H,5H2,1H3,(H,11,12).
What are the key properties of N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide?
N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide has a molecular weight of 211.22 g/mol, XLogP of 0.27, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 14036516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).